## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
C |
257 |
71 |
27021 |
◊ |
A |
x,y,z |
1_555 |
251 |
65 |
9423 |
2340.6 |
-25.7 |
0.015 |
32 |
14 |
0 |
0.236 |
2 |
|
B |
183 |
51 |
14222 |
◊ |
A |
x,y,z |
1_555 |
177 |
52 |
9423 |
1740.4 |
-11.3 |
0.374 |
27 |
2 |
0 |
0.173 |
3 |
|
C |
141 |
48 |
27021 |
◊ |
B |
x,y,z |
1_555 |
153 |
41 |
14222 |
1369.0 |
-6.9 |
0.313 |
20 |
6 |
0 |
0.094 |
4 |
|
[FAD]B:1318 |
52 |
1 |
984 |
f |
B |
x,y,z |
1_555 |
102 |
38 |
14222 |
710.8 |
-7.0 |
0.517 |
24 |
0 |
0 |
0.130 |
5 |
|
[MCN]C:1732 |
44 |
1 |
841 |
f |
C |
x,y,z |
1_555 |
90 |
35 |
27021 |
524.2 |
-10.4 |
0.331 |
17 |
0 |
0 |
0.101 |
6 |
|
C |
43 |
13 |
27021 |
x |
C |
x-1/2,y-1/2,z |
3_445 |
53 |
17 |
27021 |
471.4 |
3.3 |
0.841 |
12 |
9 |
0 |
0.000 |
7 |
|
B |
41 |
18 |
14222 |
◊ |
B |
-x+2,y,-z+1 |
2_756 |
42 |
18 |
14222 |
388.6 |
-3.2 |
0.383 |
4 |
4 |
0 |
0.000 |
8 |
|
C |
36 |
15 |
27021 |
x |
C |
x-1/2,y+1/2,z |
3_455 |
33 |
12 |
27021 |
323.0 |
1.1 |
0.735 |
4 |
3 |
0 |
0.000 |
9 |
|
[SF4]B:1317 |
8 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
28 |
16 |
14222 |
172.1 |
-22.3 |
0.427 |
0 |
0 |
0 |
0.164 |
10 |
|
A |
17 |
6 |
9423 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
21 |
8 |
27021 |
168.1 |
0.6 |
0.705 |
1 |
0 |
0 |
0.000 |
11 |
|
C |
16 |
7 |
27021 |
◊ |
C |
-x+2,y,-z |
2_755 |
16 |
7 |
27021 |
157.1 |
2.4 |
0.891 |
2 |
4 |
0 |
0.000 |
12 |
|
C |
13 |
5 |
27021 |
x |
C |
x,y-1,z |
1_545 |
17 |
5 |
27021 |
127.8 |
-0.2 |
0.563 |
1 |
0 |
0 |
0.000 |
13 |
|
[GOL]C:1746 |
6 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
27021 |
123.2 |
-1.0 |
0.443 |
2 |
0 |
0 |
0.011 |
14 |
|
[GOL]C:1745 |
6 |
1 |
213 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
27021 |
121.8 |
-1.2 |
0.431 |
2 |
0 |
0 |
0.012 |
15 |
|
[FES]A:1227 |
4 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
12 |
10 |
9423 |
115.4 |
-15.8 |
0.649 |
2 |
0 |
0 |
0.122 |
16 |
|
[ACT]A:1229 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
9423 |
111.7 |
-1.2 |
0.569 |
2 |
0 |
0 |
0.015 |
17 |
|
[MOS]C:1733 |
4 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
20 |
12 |
27021 |
109.5 |
-4.5 |
0.579 |
2 |
0 |
0 |
0.030 |
18 |
|
[FES]A:1226 |
4 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
18 |
11 |
9423 |
106.9 |
-13.6 |
0.530 |
2 |
0 |
0 |
0.107 |
19 |
|
[GOL]C:1744 |
6 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
16 |
10 |
27021 |
103.1 |
-0.9 |
0.405 |
0 |
0 |
0 |
0.000 |
20 |
|
[ACT]C:1742 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
27021 |
99.8 |
-1.4 |
0.493 |
0 |
0 |
0 |
0.008 |
21 |
|
C |
9 |
6 |
27021 |
x |
C |
-x+5/2,y-1/2,-z |
4_745 |
18 |
7 |
27021 |
98.7 |
-1.0 |
0.329 |
0 |
0 |
0 |
0.000 |
22 |
|
[ACT]C:1743 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
27021 |
91.7 |
-1.8 |
0.237 |
0 |
0 |
0 |
0.010 |
23 |
|
B |
10 |
4 |
14222 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
11 |
2 |
27021 |
90.1 |
-0.9 |
0.391 |
1 |
0 |
0 |
0.000 |
24 |
|
[IOD]C:1736 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
27021 |
88.9 |
-0.3 |
0.644 |
0 |
0 |
0 |
0.001 |
25 |
|
[IOD]B:1320 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
14222 |
88.4 |
0.1 |
0.789 |
0 |
0 |
0 |
0.000 |
26 |
|
[IOD]B:1319 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
14222 |
80.5 |
0.2 |
0.805 |
0 |
0 |
0 |
0.000 |
27 |
|
[CL]C:1739 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
27021 |
79.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.062 |
28 |
|
[IOD]C:1735 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
27021 |
78.1 |
-0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
29 |
|
[IOD]C:1737 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
27021 |
75.6 |
-0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
30 |
|
[CL]B:1322 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
14222 |
75.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.078 |
31 |
|
[IOD]B:1323 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
14222 |
70.7 |
-0.9 |
0.450 |
0 |
0 |
0 |
0.006 |
32 |
|
[CL]A:1230 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
9423 |
70.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.073 |
33 |
|
[GOL]C:1744 |
5 |
1 |
218 |
f |
C |
x-1/2,y+1/2,z |
3_455 |
9 |
4 |
27021 |
64.5 |
-0.1 |
0.524 |
2 |
0 |
0 |
0.006 |
34 |
|
[CL]B:1321 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
14222 |
61.4 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.057 |
35 |
|
[CL]B:1324 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14222 |
60.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.058 |
36 |
|
[FAD]B:1318 |
2 |
1 |
984 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9423 |
60.4 |
-1.4 |
0.334 |
0 |
0 |
0 |
0.011 |
37 |
|
[CL]C:1738 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
27021 |
59.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.045 |
38 |
|
[MOS]C:1733 |
4 |
1 |
222 |
f |
[MCN]C:1732 |
x,y,z |
1_555 |
5 |
1 |
841 |
58.3 |
-4.7 |
0.386 |
0 |
0 |
0 |
0.026 |
39 |
|
[CL]C:1741 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
27021 |
57.0 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.045 |
40 |
|
[IOD]C:1734 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
27021 |
56.3 |
-0.2 |
0.637 |
0 |
0 |
0 |
0.001 |
41 |
|
[CL]C:1748 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
27021 |
56.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.043 |
42 |
|
[MCN]C:1732 |
4 |
1 |
841 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
9423 |
50.8 |
0.3 |
0.560 |
3 |
0 |
0 |
0.006 |
43 |
|
[IOD]C:1734 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
9423 |
50.4 |
0.2 |
0.849 |
0 |
0 |
0 |
0.000 |
44 |
|
[IOD]A:1228 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
27021 |
48.7 |
-0.6 |
0.383 |
0 |
0 |
0 |
0.003 |
45 |
|
[CL]C:1747 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
27021 |
47.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.034 |
46 |
|
[FES]A:1226 |
2 |
1 |
237 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
27021 |
45.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.022 |
47 |
|
[CL]C:1740 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
27021 |
43.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.032 |
48 |
|
[IOD]A:1228 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
9423 |
42.8 |
-0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
49 |
|
[CL]B:1321 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
27021 |
41.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.030 |
50 |
|
[ACT]C:1743 |
2 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
9423 |
36.5 |
-0.2 |
0.609 |
0 |
0 |
0 |
0.001 |
51 |
|
[GOL]C:1746 |
4 |
1 |
214 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
27021 |
30.6 |
0.5 |
0.753 |
1 |
0 |
0 |
0.000 |
52 |
|
A |
3 |
2 |
9423 |
◊ |
[CL]C:1740 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
125 |
26.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
|
[ACT]C:1743 |
3 |
1 |
181 |
f |
[IOD]A:1228 |
x,y,z |
1_555 |
1 |
1 |
144 |
26.0 |
-0.1 |
0.829 |
0 |
0 |
0 |
0.000 |
54 |
|
A |
2 |
1 |
9423 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
3 |
2 |
27021 |
18.3 |
-0.3 |
0.397 |
0 |
0 |
0 |
0.000 |
55 |
|
[CL]B:1324 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
27021 |
16.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
56 |
|
[FAD]B:1318 |
1 |
1 |
984 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
27021 |
11.0 |
-0.4 |
0.218 |
0 |
0 |
0 |
0.002 |
57 |
|
[CL]C:1748 |
1 |
1 |
125 |
f |
[CL]C:1740 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.012 |
58 |
|
[MCN]C:1732 |
1 |
1 |
841 |
◊ |
[FES]A:1226 |
x,y,z |
1_555 |
1 |
1 |
237 |
10.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
59 |
|
[FES]A:1227 |
1 |
1 |
237 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14222 |
8.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
60 |
|
[SF4]B:1317 |
2 |
1 |
295 |
f |
[IOD]B:1320 |
x,y,z |
1_555 |
1 |
1 |
144 |
7.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.005 |
61 |
|
C |
2 |
1 |
27021 |
◊ |
[CL]C:1740 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
125 |
6.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
|
[FES]A:1227 |
1 |
1 |
237 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
27021 |
5.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
63 |
|
[IOD]A:1228 |
1 |
1 |
144 |
◊ |
[FES]A:1227 |
x,y,z |
1_555 |
1 |
1 |
237 |
0.9 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|